5-(4-methylpiperazin-1-yl)pentanoic acid

C10H20N2O2 — CID 14855705

IUPAC5-(4-methylpiperazin-1-yl)pentanoic acid
SMILESCN1CCN(CCCCC(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-11-6-8-12(9-7-11)5-3-2-4-10(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyAROMGYXEPCNUQL-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.49
Rot. Bonds5

About 5-(4-methylpiperazin-1-yl)pentanoic acid

5-(4-methylpiperazin-1-yl)pentanoic acid (PubChem CID 14855705) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)pentanoic acid
PubChem CID14855705
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name5-(4-methylpiperazin-1-yl)pentanoic acid
SMILESCN1CCN(CCCCC(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-11-6-8-12(9-7-11)5-3-2-4-10(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyAROMGYXEPCNUQL-UHFFFAOYSA-N
XLogP0.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 5-(4-methylpiperazin-1-yl)pentanoic acid (CID 14855705) is 5-(4-methylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)pentanoic acid is CN1CCN(CCCCC(=O)O)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)pentanoic acid?
The InChIKey is AROMGYXEPCNUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11-6-8-12(9-7-11)5-3-2-4-10(13)14/h2-9H2,1H3,(H,13,14).
What are the key properties of 5-(4-methylpiperazin-1-yl)pentanoic acid?
5-(4-methylpiperazin-1-yl)pentanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 14855705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).